5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene

C11H18O3 — CID 69492272

IUPAC5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCCOC1(C)C=CC=C(OC)C1OC
InChIInChI=1S/C11H18O3/c1-5-14-11(2)8-6-7-9(12-3)10(11)13-4/h6-8,10H,5H2,1-4H3
InChIKeyKWOVLAARTSLLCN-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene

5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene (PubChem CID 69492272) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene
PubChem CID69492272
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCCOC1(C)C=CC=C(OC)C1OC
InChIInChI=1S/C11H18O3/c1-5-14-11(2)8-6-7-9(12-3)10(11)13-4/h6-8,10H,5H2,1-4H3
InChIKeyKWOVLAARTSLLCN-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene (CID 69492272) is 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene is CCOC1(C)C=CC=C(OC)C1OC.
What is the InChIKey of 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is KWOVLAARTSLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-14-11(2)8-6-7-9(12-3)10(11)13-4/h6-8,10H,5H2,1-4H3.
What are the key properties of 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene?
5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,6-dimethoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 69492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).